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	hartrees
Energy at 0K	-263.190586
Energy at 298.15K	-263.192561
HF Energy	-263.190586
Nuclear repulsion energy	116.589613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1885	1696	713.44
2	A₁	961	865	101.35
3	A₁	853	767	44.28
4	A₁	551	496	125.22
5	B₁	853	767	86.58
6	B₁	186	168	65.65
7	B₂	1133	1020	650.71
8	B₂	720	648	1.84
9	B₂	504	454	11.91

Atom	y (Å)	z (Å)
C1	0.000	-0.742
O2	0.000	-1.950
Mg3	0.000	1.567
O4	1.112	0.078
O5	-1.112	0.078

	C1	O2	Mg3	O4	O5
C1		1.2080	2.3083	1.3814	1.3814
O2	1.2080		3.5164	2.3126	2.3126
Mg3	2.3083	3.5164		1.8582	1.8582
O4	1.3814	2.3126	1.8582		2.2240
O5	1.3814	2.3126	1.8582	2.2240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Mg3	89.634	C1	O5	Mg3	89.634
O2	C1	O4	126.393	O2	C1	O5	126.393
O4	C1	O5	107.214	O4	Mg3	O5	73.517

All results from a given calculation for MgCO₃ (Magnesium Carbonate)

using model chemistry: HF/LANL2DZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.688
2	O	-0.404
3	Mg	1.427
4	O	-0.855
5	O	-0.855

	x	y	z	Total
	0.000	0.000	13.996	13.996
CHELPG
AIM
ESP

<r²>	74.537
(<r²>)^1/2	8.633

All results from a given calculation for MgCO3 (Magnesium Carbonate)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for MgCO₃ (Magnesium Carbonate)